N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine

C17H27N — CID 81423023

IUPACN,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine
SMILESCCNC1C(C)C(c2ccc(CC)cc2)C1CC
InChIInChI=1S/C17H27N/c1-5-13-8-10-14(11-9-13)16-12(4)17(18-7-3)15(16)6-2/h8-12,15-18H,5-7H2,1-4H3
InChIKeyPGXQHUGMXYADHI-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.99
Rot. Bonds5

About N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine

N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine (PubChem CID 81423023) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine
PubChem CID81423023
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine
SMILESCCNC1C(C)C(c2ccc(CC)cc2)C1CC
InChIInChI=1S/C17H27N/c1-5-13-8-10-14(11-9-13)16-12(4)17(18-7-3)15(16)6-2/h8-12,15-18H,5-7H2,1-4H3
InChIKeyPGXQHUGMXYADHI-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273
2-ethyl-3-(4-ethylphenyl)cyclobutan-1-amine
CID 81415991
2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol
CID 81421656
5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine
CID 76985736
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
4-ethylaniline;hydrobromide
CID 86059477
1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 146000383
1,4-diethylbenzene;ethane;methane
CID 166131756
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine (CID 81423023) is N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine is CCNC1C(C)C(c2ccc(CC)cc2)C1CC.
What is the InChIKey of N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine?
The InChIKey is PGXQHUGMXYADHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-13-8-10-14(11-9-13)16-12(4)17(18-7-3)15(16)6-2/h8-12,15-18H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine?
N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine is sourced from PubChem (CID 81423023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).